B3KZR4 -OEChem-04022103163D 40 42 0 0 0 0 0 0 0999 V2000 -1.4844 -4.9243 -0.6325 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.2843 -1.0329 1.2837 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5098 3.7191 -0.1504 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4084 0.8703 0.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 3.8245 0.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 2.1023 0.3131 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 1.0667 -0.1176 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 1.7288 -0.8823 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5055 -2.6143 0.6273 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0658 -0.1496 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1898 -1.3276 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 -0.3068 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 2.1179 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -1.9080 -1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5193 -1.8592 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 0.9250 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 3.3652 -1.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 1.0691 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0645 3.0111 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2059 -3.0202 -1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3078 -2.9713 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4645 -3.5518 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9512 -0.2289 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 1.7170 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0750 -0.8790 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 1.0670 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8971 -0.2309 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9991 -1.5790 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 -1.5039 -2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6302 -1.4167 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0075 2.9842 0.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 2.6017 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0107 4.2770 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9627 1.1801 -1.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 -3.4617 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 -3.3742 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3197 -0.7444 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 2.7191 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2972 -1.8907 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2276 1.5830 1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 27 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 16 2 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 13 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 9 28 3 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 14 20 1 0 0 0 0 14 29 1 0 0 0 0 15 21 2 0 0 0 0 15 30 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$